3H-imidazo[1,5-d][1,4]benzodiazepine

C11H9N3 — CID 67726965

IUPAC3H-imidazo[1,5-d][1,4]benzodiazepine
SMILESC1=CN2CN=CC2=c2ccccc2=N1
InChIInChI=1S/C11H9N3/c1-2-4-10-9(3-1)11-7-12-8-14(11)6-5-13-10/h1-7H,8H2
InChIKeyVMYPTTZGGOFESZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.24
Rot. Bonds

About 3H-imidazo[1,5-d][1,4]benzodiazepine

3H-imidazo[1,5-d][1,4]benzodiazepine (PubChem CID 67726965) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3H-imidazo[1,5-d][1,4]benzodiazepine.

Molecular Properties

Compound Name3H-imidazo[1,5-d][1,4]benzodiazepine
PubChem CID67726965
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name3H-imidazo[1,5-d][1,4]benzodiazepine
SMILESC1=CN2CN=CC2=c2ccccc2=N1
InChIInChI=1S/C11H9N3/c1-2-4-10-9(3-1)11-7-12-8-14(11)6-5-13-10/h1-7H,8H2
InChIKeyVMYPTTZGGOFESZ-UHFFFAOYSA-N
XLogP0.24
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[1,5-d][1,4]benzodiazepine?
The IUPAC name of 3H-imidazo[1,5-d][1,4]benzodiazepine (CID 67726965) is 3H-imidazo[1,5-d][1,4]benzodiazepine.
What is the SMILES notation for 3H-imidazo[1,5-d][1,4]benzodiazepine?
The canonical SMILES for 3H-imidazo[1,5-d][1,4]benzodiazepine is C1=CN2CN=CC2=c2ccccc2=N1.
What is the InChIKey of 3H-imidazo[1,5-d][1,4]benzodiazepine?
The InChIKey is VMYPTTZGGOFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-4-10-9(3-1)11-7-12-8-14(11)6-5-13-10/h1-7H,8H2.
What are the key properties of 3H-imidazo[1,5-d][1,4]benzodiazepine?
3H-imidazo[1,5-d][1,4]benzodiazepine has a molecular weight of 183.21 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[1,5-d][1,4]benzodiazepine is sourced from PubChem (CID 67726965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).